Crystallography Open Database

Information card for entry 7211774

Preview

Coordinates	7211774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 As Cr N2 O13
Calculated formula	C40 H42 As Cr N2 O13
SMILES	[Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)[n]1ccc(cc1c1[n]3ccc(c1)C)C.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O.O.O.O
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	9.7453 ± 0.0008 Å
b	10.9615 ± 0.0009 Å
c	20.0602 ± 0.0017 Å
α	93.031 ± 0.002°
β	99.433 ± 0.002°
γ	108.355 ± 0.002°
Cell volume	1993.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0711
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	7211774.cif
92359	2014-01-12	cif/ Adding structures of 7211773, 7211774, 7211775, 7211776 via cif-deposit CGI script.	7211774.cif