Crystallography Open Database

Information card for entry 4323795

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Structure parameters

Formula	C12 H32 Cl2 Ni O8 P4
Calculated formula	C12 H32 Cl2 Ni O8 P4
Title of publication	Generation of 19-Electron Adducts in Aqueous Solution Using the Water-Soluble (HOCH2)2PCH2CH2P(CH2OH)2 Ligand
Authors of publication	Gregory F. Nieckarz; T. J. R. Weakley; Warren K. Miller; Brian E. Miller; David K. Lyon; David R. Tyler
Journal of publication	Inorganic Chemistry
Year of publication	1996
Journal volume	35
Pages of publication	1721 - 1724
a	9.216 ± 0.003 Å
b	14.634 ± 0.001 Å
c	15.87 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2140.3 ± 0.7 Å³
Cell temperature	294.2 K
Ambient diffraction temperature	294.2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0351
Goodness-of-fit parameter for significantly intense reflections	1.218
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301838 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure.	4323795.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4323795.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4323795.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4323795.cif
24044	2011-08-12	../uploads/cif-deposit/cod/cif Adding structures of 4323795 via cif-deposit CGI script.	4323795.cif