Crystallography Open Database

Information card for entry 4322503

Preview

Coordinates	4322503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76.8 H69.6 Cr Li3 O10.2
Calculated formula	C76.8 H36 Cr Li3 O10.2
Title of publication	Syntheses, Crystal Structures, and CD Spectra of Simple Heterobimetallic Transition Metal Binaphtholates
Authors of publication	Ronald J. Cross; Louis J. Farrugia; Duncan R. McArthur; Robert D. Peacock; Douglas S. C. Taylor
Journal of publication	Inorganic Chemistry
Year of publication	1999
Journal volume	38
Pages of publication	5698 - 5702
a	14.85 ± 0.004 Å
b	14.85 ± 0.004 Å
c	19.052 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	3638.5 ± 1.9 Å³
Cell temperature	564 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	182
Hermann-Mauguin space group symbol	P 63 2 2
Hall space group symbol	P 6c 2c
Residual factor for all reflections	0.1297
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.2012
Weighted residual factors for all reflections included in the refinement	0.2279
Goodness-of-fit parameter for all reflections included in the refinement	0.94
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
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.	4322503.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4322503.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4322503.cif
20785	2011-06-13	../uploads/cif-deposit/cod/cif Adding structures of 4322503 via cif-deposit CGI script.	4322503.cif