Crystallography Open Database

Information card for entry 7034301

Preview

Coordinates	7034301.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 Ni O2 P2
Calculated formula	C26 H36 Ni O2 P2
SMILES	[Ni]12([P](Oc3c2c(O[P]1(C(C)C)C(C)C)ccc3)(C(C)C)C(C)C)C#Cc1ccccc1
Title of publication	Reactions of phenylacetylene with nickel POCOP-pincer hydride complexes resulting in different outcomes from their palladium analogues.
Authors of publication	Wilson, Gleason L. O.; Abraha, Medhanei; Krause, Jeanette A.; Guan, Hairong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	27
Pages of publication	12128 - 12136
a	18.9605 ± 0.0012 Å
b	14.8022 ± 0.0009 Å
c	9.4584 ± 0.0006 Å
α	90°
β	95.672 ± 0.003°
γ	90°
Cell volume	2641.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0924
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1453
Weighted residual factors for all reflections included in the refinement	0.1634
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180049 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/43.	7034301.cif
143665	2015-07-11	cif/ Updating files of 7034299, 7034300, 7034301, 7034302 Original log message: Adding full bibliography for 7034299--7034302.cif.	7034301.cif
133595	2015-03-07	cif/ Adding structures of 7034299, 7034300, 7034301, 7034302 via cif-deposit CGI script.	7034301.cif