Crystallography Open Database

Information card for entry 7001771

Preview

Coordinates	7001771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H64 Cl14 N4 Ni O P2
Calculated formula	C50 H64 Cl14 N4 Ni O P2
Title of publication	Anion effect in the diastereoselective formation of bischelated Ni(II) complexes with a novel, chiral phosphine derived from 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)
Authors of publication	O'Reilly, Matthew; Pattacini, Roberto; Braunstein, Pierre
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	31
Pages of publication	6092
a	14.4443 ± 0.0005 Å
b	15.8472 ± 0.0006 Å
c	15.9016 ± 0.0004 Å
α	116.871 ± 0.002°
β	95.778 ± 0.002°
γ	97.478 ± 0.002°
Cell volume	3166.49 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1131
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.1811
Goodness-of-fit parameter for all reflections included in the refinement	0.981
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
179715 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/17.	7001771.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7001771.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7001771.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7001771.cif