Crystallography Open Database

Information card for entry 7024899

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Structure parameters

Formula	C82 H74 B N2 O P2 Zn
Calculated formula	C82 H74 B N2 O P2 Zn
Title of publication	Cationic organozinc complexes of a bis(phosphinimine) pincer ligand: synthesis, structural and polymerization studies.
Authors of publication	Wheaton, Craig A.; Hayes, Paul G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	16
Pages of publication	3861 - 3869
a	11.4348 ± 0.001 Å
b	15.8183 ± 0.0014 Å
c	19.2062 ± 0.0017 Å
α	86.685 ± 0.001°
β	75.823 ± 0.001°
γ	82.763 ± 0.001°
Cell volume	3340 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.1351
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.1554
Weighted residual factors for all reflections included in the refinement	0.1883
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7024899.cif
179953	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/48.	7024899.cif
92731	2014-01-12	cif/ Adding structures of 7024899, 7024900, 7024901 via cif-deposit CGI script.	7024899.cif