Crystallography Open Database

Information card for entry 4503445

Preview

Coordinates	4503445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H56 Cu8 Mo2 N15 S8
Calculated formula	C74 H56 Cu8 Mo2 N15 S8
Title of publication	Stepwise Guest Exchange in a Cluster-Supported Three-Dimensional Host
Authors of publication	Zhang, Wen-Hua; Lang, Jian-Ping; Zhang, Yong; Abrahams, Brendan F.
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	2
Pages of publication	399
a	9.6701 ± 0.0019 Å
b	11.742 ± 0.002 Å
c	18.852 ± 0.004 Å
α	90°
β	97.91 ± 0.03°
γ	90°
Cell volume	2120.2 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1176
Residual factor for significantly intense reflections	0.0921
Weighted residual factors for significantly intense reflections	0.2014
Weighted residual factors for all reflections included in the refinement	0.2144
Goodness-of-fit parameter for all reflections included in the refinement	1.207
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
179565 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/34.	4503445.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503445.cif
41554	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503445 via cif-deposit CGI script.	4503445.cif