Crystallography Open Database

Information card for entry 4504752

Preview

Coordinates	4504752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H30 Cu Mo0.5 N8 O3
Calculated formula	C14 H30 Cu Mo0.5 N8 O3
Title of publication	A Self-Assembled, Decameric Water Cluster Stabilized by a Cyano-Bridged Copper(II) Complex
Authors of publication	Mukhopadhyay, Uday; Bernal, Ivan
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	2
Pages of publication	363
a	20.735 ± 0.005 Å
b	9.323 ± 0.003 Å
c	20.978 ± 0.005 Å
α	90°
β	95.8 ± 0.04°
γ	90°
Cell volume	4034.5 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0421
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.0673
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
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.	4504752.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504752.cif
47507	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4504752 via cif-deposit CGI script.	4504752.cif