Crystallography Open Database

Information card for entry 4107566

Preview

Coordinates	4107566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H48 Cl N Ni O P2
Calculated formula	C30 H48 Cl N Ni O P2
Title of publication	Structural, Spectroscopic, and Theoretical Elucidation of a Redox-Active Pincer-Type Ancillary Applied in Catalysis
Authors of publication	Debashis Adhikari; Susanne Mossin; Falguni Basuli; John C. Huffman; Robert K. Szilagyi; Karsten Meyer; Daniel J. Mindiola
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	3676 - 3682
a	19.183 ± 0.006 Å
b	11.709 ± 0.004 Å
c	14.676 ± 0.003 Å
α	90°
β	110.738 ± 0.008°
γ	90°
Cell volume	3082.9 ± 1.6 Å³
Cell temperature	128 ± 2 K
Ambient diffraction temperature	128 ± 2 K
Number of distinct elements	7
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	0.0549
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0646
Weighted residual factors for all reflections included in the refinement	0.0695
Goodness-of-fit parameter for all reflections included in the refinement	0.82
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4107566.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107566.cif
55252	2012-05-04	cif/ Adding structures of 4107566 via cif-deposit CGI script.	4107566.cif