Crystallography Open Database

Information card for entry 1572866

Preview

Coordinates	1572866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C118 H180 Fe2 N4 O8 P4 Si4
Calculated formula	C118 H180 Fe2 N4 O8 P4 Si4
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	13.3341 ± 0.0007 Å
b	15.4736 ± 0.0009 Å
c	16.8028 ± 0.0009 Å
α	89.148 ± 0.004°
β	68.098 ± 0.004°
γ	69.912 ± 0.004°
Cell volume	2995.3 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1728
Weighted residual factors for all reflections included in the refinement	0.2052
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	1572866.cif