Crystallography Open Database

Information card for entry 7203612

7203611 << 7203612 >> 7203613

Preview

Coordinates	7203612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H32 N6 O8 Pt
Calculated formula	C48 H32 N6 O8 Pt
SMILES	C1(=c2ccc3=C(c4ccc5=C(c6ccc7C(=c8ccc1[n]8[Pt](n23)(n67)[n]45)c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(cc1)C(=O)[O-])c1ccc(C(=O)[O-])cc1.[NH4+].[NH4+]
Title of publication	Self-assembly of uniquely structured porphyrin network solids by charged N?H?Cl and N?H?O hydrogen bonds
Authors of publication	Goldberg, Israel; Muniappan, Sankar; George, Sumod; Lipstman, Sophia
Journal of publication	CrystEngComm
Year of publication	2006
Journal volume	8
Journal issue	11
Pages of publication	784
a	28.715 ± 0.0006 Å
b	24.5928 ± 0.0006 Å
c	8.1377 ± 0.0002 Å
α	90°
β	103.647 ± 0.0017°
γ	90°
Cell volume	5584.5 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0803
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180367 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/36.	7203612.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7203612.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7203612.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7203612.cif