Crystallography Open Database

Information card for entry 1572868

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Coordinates	1572868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H120 Mo N2 O5 P2 Si2
Calculated formula	C90 H120 Mo N2 O5 P2 Si2
Title of publication	Phosphasilene Mediated CO Activation and Deoxygenative Homo Coupling of CO Molecules in Reactions with Metal Carbonyls
Authors of publication	Hendi, Zohreh; Pradhan, Renuka; Rachuy, Katharina; Mahmoudi, Soheil; Pandey, Madhusudan Kumar; Kushvaha, Saroj Kumar; Herbst-Irmer, Regine; Lourderaj, Upakarasamy; Stalke, Dietmar; Roesky, Herbert W.
Journal of publication	Chemical Science
Year of publication	2024
a	14.748 ± 0.002 Å
b	18.855 ± 0.002 Å
c	31.225 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	8682.8 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0703
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.0886
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
295440 (current)	2024-10-12	cif/ Adding structures of 1572866, 1572867, 1572868, 1572869 via cif-deposit CGI script.	1572868.cif