Crystallography Open Database

Information card for entry 1504401

Preview

Coordinates	1504401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H59.5 B2 F7 Ni O P3
Calculated formula	C65 H59.5 B2 F7 Ni O P3
Title of publication	Synthesis, molecular structure, and EPR analysis of the three-coordinate Ni(I) complex [Ni(PPh3)3][BF4].
Authors of publication	Saraev, V. V.; Kraikivskii, P. B.; Svoboda, I.; Kuzakov, A. S.; Jordan, R. F.
Journal of publication	The journal of physical chemistry. A
Year of publication	2008
Journal volume	112
Journal issue	48
Pages of publication	12449 - 12455
a	13.318 ± 0.001 Å
b	13.946 ± 0.001 Å
c	17.017 ± 0.001 Å
α	76.88 ± 0.009°
β	68.233 ± 0.009°
γ	83.948 ± 0.008°
Cell volume	2857.9 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1449
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1265
Weighted residual factors for all reflections included in the refinement	0.1577
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504401.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504401.cif
42014	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504401 via cif-deposit CGI script.	1504401.cif