Crystallography Open Database

Information card for entry 4088976

Preview

Coordinates	4088976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H57 Cl2 N O P2 Zr
Calculated formula	C38 H57 Cl2 N O P2 Zr
Title of publication	Reactivity Studies of a Zirconium Methylidene Complex: Group Transfer and Methylenation Reactions
Authors of publication	Kurogi, Takashi; Kamitani, Masahiro; Manor, Brian C.; Carroll, Patrick J.; Mindiola, Daniel J.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	36
Journal issue	1
Pages of publication	74
a	12.071 ± 0.003 Å
b	17.963 ± 0.004 Å
c	17.976 ± 0.005 Å
α	90°
β	90.045 ± 0.011°
γ	90°
Cell volume	3897.8 ± 1.7 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0522
Weighted residual factors for all reflections included in the refinement	0.0532
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
288221 (current)	2023-12-12	cif/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9841. This change affected only the misspelt variants of the '_exptl_crystal_colour' data name.	4088976.cif
237905	2019-11-24	cif/ Adding structures of 4088975, 4088976, 4088977 via cif-deposit CGI script.	4088976.cif