Crystallography Open Database

Information card for entry 4500757

Preview

Coordinates	4500757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H31 Cu3 Mo N8 O2 S4
Calculated formula	C34 H31 Cu3 Mo N8 O2 S4
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	9.783 ± 0.011 Å
b	14.226 ± 0.016 Å
c	19.58 ± 0.02 Å
α	72.595 ± 0.014°
β	78.897 ± 0.014°
γ	87.935 ± 0.014°
Cell volume	2551 ± 5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1002
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1453
Weighted residual factors for all reflections included in the refinement	0.1614
Goodness-of-fit parameter for all reflections included in the refinement	0.958
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.	4500757.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500757.cif
34622	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500755, 4500756, 4500757, 4500758 via cif-deposit CGI script.	4500757.cif