Crystallography Open Database

Information card for entry 4500755

Preview

Coordinates	4500755.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Cl Cu3 Mo N4 O S3
Calculated formula	C20 H16 Cl Cu3 Mo N4 O S3
Title of publication	External Template-Assisted Self-Assembly:Design and Synthesis of 4,4′-bipy-Based Mo(W)/Cu/S Heterothiometallic Polymeric Clusters Directed by 1,1′-Bis(pyridinium)methylene Cation
Authors of publication	Han, Yi; Zhang, Zhenhua; Liu, Yanyan; Niu, Yunyin; Ding, Degang; Wu, Benlai; Hou, Hongwei; Fan, Yaoting
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	8
Pages of publication	3448
a	25.5852 ± 0.0015 Å
b	29.62 ± 0.0018 Å
c	58.413 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	44267 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1116
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1492
Weighted residual factors for all reflections included in the refinement	0.1572
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179538 (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 4/50/07.	4500755.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500755.cif
34622	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500755, 4500756, 4500757, 4500758 via cif-deposit CGI script.	4500755.cif