Crystallography Open Database

Information card for entry 4500758

Preview

Coordinates	4500758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H41 Cu3 N9 O4 S4 W
Calculated formula	C35 H41 Cu3 N9 O4 S4 W
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	40.669 ± 0.003 Å
b	9.7097 ± 0.0007 Å
c	24.7394 ± 0.0019 Å
α	90°
β	105.023 ± 0.001°
γ	90°
Cell volume	9435.3 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.0473
Residual factor for significantly intense reflections	0.0358
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1149
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
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.	4500758.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500758.cif
34622	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500755, 4500756, 4500757, 4500758 via cif-deposit CGI script.	4500758.cif