Crystallography Open Database

Information card for entry 4082453

Preview

Coordinates	4082453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H58 Cl10 N3 P Zr
Calculated formula	C51 H58 Cl10 N3 P Zr
Title of publication	A Novel Trisamidophosphine Ligand and Its Group(IV) Metal Complexes
Authors of publication	Sietzen, Malte; Wadepohl, Hubert; Ballmann, Joachim
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	3
Pages of publication	612
a	15.59551 ± 0.00011 Å
b	18.37056 ± 0.00014 Å
c	20.06023 ± 0.00015 Å
α	90°
β	98.8698 ± 0.0007°
γ	90°
Cell volume	5678.49 ± 0.07 Å³
Cell temperature	110 ± 1 K
Ambient diffraction temperature	110 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.073
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1523
Weighted residual factors for all reflections included in the refinement	0.1601
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178713 (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 4/08/24.	4082453.cif
104408	2014-03-11	cif/ Adding structures of 4082451, 4082452, 4082453, 4082454 via cif-deposit CGI script.	4082453.cif