Crystallography Open Database

Information card for entry 7004617

Preview

Coordinates	7004617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H84 Cl14 Fe O2 P4 Zr2
Calculated formula	C76 H84 Cl14 Fe O2 P4 Zr2
Title of publication	Selective formation of a unique diphosphonium-diphosphine from a tetraphosphine double protonation induced by zirconium salts
Authors of publication	Jahel, Ali; Vologdin, Nikolay V.; Pirio, Nadine; Cattey, Hélène; Richard, Philippe; Meunier, Philippe; Hierso, Jean-Cyrille
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	32
Pages of publication	4206 - 4208
a	12.302 ± 0.005 Å
b	18.324 ± 0.005 Å
c	19.112 ± 0.005 Å
α	75.8 ± 0.005°
β	89.51 ± 0.005°
γ	87.002 ± 0.005°
Cell volume	4171 ± 2 Å³
Cell temperature	115 ± 2 K
Ambient diffraction temperature	115 ± 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	0.0899
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1131
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179750 (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 7/00/46.	7004617.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004617.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004617.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7004617.cif