Crystallography Open Database

Information card for entry 4316111

Preview

Coordinates	4316111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H34 N4 Ni O15 P2
Calculated formula	C24 H34 N4 Ni O15 P2
SMILES	[Ni]123(OP(=O)(O)OP(=O)(O1)O)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.O.O.O.O.O.O.O.O
Title of publication	Expanding Monomeric Pyrophosphate Complexes beyond Platinum
Authors of publication	Nadia Marino; Anthony R. Vortherms; Amanda E. Hoffman; Robert P. Doyle
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	6790 - 6792
a	12.3651 ± 0.0011 Å
b	24.1177 ± 0.0016 Å
c	10.9435 ± 0.0007 Å
α	90°
β	113.916 ± 0.001°
γ	90°
Cell volume	2983.3 ± 0.4 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	6
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	0.0536
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0968
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179241 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/61.	4316111.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316111.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316111.cif
9301	2011-02-09	../uploads/cif-deposit/cod/cif Adding structures of 4316111 via cif-deposit CGI script.	4316111.cif