Crystallography Open Database

Information card for entry 2241846

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Coordinates	2241846.cif
Structure factors	2241846.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>cis</i>-[dichlorido(1,4,8,11-tetraazacyclotetradecane-<i>κN</i>^4^)chromium(III)][oxalato(1,4,8,11-tetraazacyclotetradecane-<i>κN</i>^4^)chromium(III)]
Formula	C22 H48 Cl4 Cr2 N8 O12
Calculated formula	C22 H48 Cl4 Cr2 N8 O12
SMILES	C1[NH]2CCC[NH]3CC[NH]4[Cr]523(OC(=O)C(=O)O5)[NH](CCC4)C1.C1[NH]2CCC[NH]3CC[NH]4[Cr]23(Cl)([NH](CCC4)C1)Cl.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
Title of publication	Crystal structure of <i>cis</i>-[dichlorido(1,4,8,11-tetraazacyclotetradecane-<i>{κ</i>N}^4^)chromium(III)][oxalato(1,4,8,11-tetraazacyclotetradecane-<i>{κ</i>N}^4^)chromium(III)] diperchlorate from synchrotron data
Authors of publication	Moon, Dohyun; Choi, Jong-Ha
Journal of publication	Acta Crystallographica Section E
Year of publication	2016
Journal volume	72
Journal issue	10
Pages of publication	1417 - 1420
a	18.599 ± 0.004 Å
b	26.986 ± 0.005 Å
c	14.042 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7048 ± 3 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0651
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1427
Weighted residual factors for all reflections included in the refinement	0.1502
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.67 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
186495 (current)	2016-09-10	cif/ hkl/ Adding structures of 2241846 via cif-deposit CGI script.	2241846.cif 2241846.hkl