Crystallography Open Database

Information card for entry 4084627

Preview

Coordinates	4084627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H58 N2 O2 P4 Zn2
Calculated formula	C41 H58 N2 O2 P4 Zn2
SMILES	[Zn]12([P](N=P(C(C)C)(C(C)C)C(=O)[O]2[Zn](N([P]1(C(C)C)C(C)C)P(c1ccccc1)c1ccccc1)CC)(c1ccccc1)c1ccccc1)CC
Title of publication	Structures and CO2Reactivity of Zinc Complexes of Bis(diisopropyl-) and Bis(diphenylphosphino)amines
Authors of publication	Dickie, Diane A.; Kemp, Richard A.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	22
Pages of publication	6511
a	9.9776 ± 0.0009 Å
b	10.8281 ± 0.001 Å
c	19.8181 ± 0.0019 Å
α	86.026 ± 0.005°
β	82.961 ± 0.006°
γ	89.971 ± 0.005°
Cell volume	2119.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0486
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1124
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
178735 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/46.	4084627.cif
131431	2015-02-07	cif/ Updating files of 4084620, 4084621, 4084622, 4084623, 4084624, 4084625, 4084626, 4084627 Original log message: Adding full bibliography for 4084620--4084627.cif.	4084627.cif
126214	2014-11-04	cif/ Adding structures of 4084620, 4084621, 4084622, 4084623, 4084624, 4084625, 4084626, 4084627 via cif-deposit CGI script.	4084627.cif