Crystallography Open Database

Information card for entry 2311358

Preview

Coordinates	2311358.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)chromium(III)] dichromate octahydrate
Formula	C24 H64 Cr4 N8 O23
Calculated formula	C24 H64 Cr4 N8 O23
Title of publication	Crystal structure of bis-[(oxalato-κ<sup>2</sup><i>O</i><sup>1</sup>,<i>O</i><sup>2</sup>)(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ<sup>4</sup><i>N</i>)chromium(III)] dichromate octa-hydrate from synchrotron X-ray data.
Authors of publication	Moon, Dohyun; Choi, Jong-Ha
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2017
Journal volume	73
Journal issue	Pt 3
Pages of publication	403 - 406
a	7.827 ± 0.0016 Å
b	15.407 ± 0.003 Å
c	18.086 ± 0.004 Å
α	90°
β	100.86 ± 0.03°
γ	90°
Cell volume	2141.9 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1394
Weighted residual factors for all reflections included in the refinement	0.1448
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.61 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
245822 (current)	2019-12-25	cif/ Adding structures of 2311358 via cif-deposit CGI script.	2311358.cif