Crystallography Open Database

Information card for entry 7211775

Preview

Coordinates	7211775.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H90 Ba2 Cr4 N8 O53
Calculated formula	C64 H48 Ba2 Cr4 N8 O53
Title of publication	[Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O
Authors of publication	Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	1
Pages of publication	122
a	19.493 ± 0.008 Å
b	9.687 ± 0.004 Å
c	24.2 ± 0.009 Å
α	90°
β	98.736 ± 0.01°
γ	90°
Cell volume	4517 ± 3 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.1149
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
180448 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/17.	7211775.cif
92359	2014-01-12	cif/ Adding structures of 7211773, 7211774, 7211775, 7211776 via cif-deposit CGI script.	7211775.cif