Crystallography Open Database

Information card for entry 4505640

Preview

Coordinates	4505640.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H54 Cu2 Mo N16 O10.5
Calculated formula	C28 H54 Cu2 Mo N16 O10.5
Title of publication	Synthesis and Structure of a Two-Dimensional Cyano-Bridged Coordination Polymer [Cu(cyclam)]2[Mo(CN)8]·10.5H2O (Cyclam = 1,4,8,11-Tetraazacyclodecane)
Authors of publication	Larionova, Joulia; Clérac, Rodolphe; Donnadieu, Bruno; Willemin, Stephanie; Guérin, Christian
Journal of publication	Crystal Growth & Design
Year of publication	2003
Journal volume	3
Journal issue	2
Pages of publication	267
a	10.278 ± 0.005 Å
b	25.507 ± 0.005 Å
c	17.398 ± 0.005 Å
α	90 ± 0.005°
β	99.581 ± 0.005°
γ	90 ± 0.005°
Cell volume	4497 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1233
Residual factor for significantly intense reflections	0.0938
Weighted residual factors for significantly intense reflections	0.2391
Weighted residual factors for all reflections included in the refinement	0.2613
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4505640.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505640.cif
53672	2012-04-20	cif/ Adding structures of 4505640 via cif-deposit CGI script.	4505640.cif