Crystallography Open Database

Information card for entry 4318764

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Coordinates	4318764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H39 Cl2 Cr N3 O13
Calculated formula	C30 H34 Cl2 Cr N3 O13
SMILES	[Cr]123([OH2])([OH]c4c(O1)c(ccc4C(C)(C)C)C(C)(C)C)[n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.O
Title of publication	Acid-Base Equilibrium of Aqua-Chromium-Dioxolene Complexes Aimed at Formation of Oxo-Chromium Complexes
Authors of publication	Kazushi Shiren; Koji Tanaka
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	5912 - 5919
a	22.058 ± 0.002 Å
b	13.3259 ± 0.0009 Å
c	12.4739 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3666.6 ± 0.5 Å³
Cell temperature	173.1 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.171
Goodness-of-fit parameter for all reflections included in the refinement	1.605
Diffraction radiation wavelength	0.7107 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.	4318764.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318764.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318764.cif
15488	2011-03-16	../uploads/cif-deposit/cod/cif Adding structures of 4318764 via cif-deposit CGI script.	4318764.cif