Crystallography Open Database

Information card for entry 7052669

Preview

Coordinates	7052669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H88 Cd4 N12 S8
Calculated formula	C66 H82 Cd4 N12 S8
Title of publication	Thermodynamically controlled coordination-engineering of novel 2D cadmium thiolate coordination polymers
Authors of publication	Louvain, Nicolas; Takashima, Yohei; Kitagawa, Susumu; Furukawa, Shuhei
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	6
Pages of publication	1265
a	9.3757 ± 0.0011 Å
b	16.437 ± 0.002 Å
c	23.66 ± 0.003 Å
α	87.968 ± 0.003°
β	83.848 ± 0.003°
γ	85.414 ± 0.003°
Cell volume	3612.3 ± 0.8 Å³
Cell temperature	93.15 K
Ambient diffraction temperature	93.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7052669.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052669.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052669.cif
23721	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7052668, 7052669, 7052670 via cif-deposit CGI script.	7052669.cif