Crystallography Open Database

Information card for entry 4082454

Preview

Coordinates	4082454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62.5 H65 Cl N3 P Zr
Calculated formula	C59 H61 Cl 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	10.53327 ± 0.00016 Å
b	15.8299 ± 0.0002 Å
c	16.9562 ± 0.0002 Å
α	69.1157 ± 0.0012°
β	80.036 ± 0.0012°
γ	80.887 ± 0.0012°
Cell volume	2587.29 ± 0.06 Å³
Cell temperature	110 ± 1 K
Ambient diffraction temperature	110 ± 1 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	0.0265
Residual factor for significantly intense reflections	0.0251
Weighted residual factors for significantly intense reflections	0.0648
Weighted residual factors for all reflections included in the refinement	0.0658
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4082454.cif
104408	2014-03-11	cif/ Adding structures of 4082451, 4082452, 4082453, 4082454 via cif-deposit CGI script.	4082454.cif