Crystallography Open Database

Information card for entry 4088493

Preview

Coordinates	4088493.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H90 Br2 Mo2 N4 O3
Calculated formula	C64 H80 Br2 Mo2 N4 O2
Title of publication	Reductive Cleavage of Acyl Halides to Carboxylato Alkylidyne Complexes from Their Reactions with the Quintuply Bonded Dimolybdenum Amidinate
Authors of publication	Harisomayajula, N. V. Satyachand; Chen, Han-Gung; Kuo, Ting-Shen; Tsai, Yi-Chou
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	10
Pages of publication	1534
a	13.0638 ± 0.0003 Å
b	13.8907 ± 0.0003 Å
c	20.4848 ± 0.0004 Å
α	83.471 ± 0.001°
β	80.805 ± 0.001°
γ	81.632 ± 0.001°
Cell volume	3614.84 ± 0.13 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0582
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
237616 (current)	2019-11-24	cif/ Adding structures of 4088488, 4088489, 4088490, 4088491, 4088492, 4088493, 4088494, 4088495, 4088496, 4088497, 4088498, 4088499, 4088500, 4088501, 4088502 via cif-deposit CGI script.	4088493.cif