Crystallography Open Database

Information card for entry 7718457

Preview

Coordinates	7718457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 Cl2 Cr2 F2 N2
Calculated formula	C44 H52 Cl2 Cr2 F2 N2
Title of publication	Revisiting the structure and properties of mid-valent monopentamethylcyclopentadienylchromium complexes.
Authors of publication	Calvo-Molina, Adrián; Jover, Jesús; Pérez-Redondo, Adrián; Yélamos, Carlos
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	20
Pages of publication	8190 - 8203
a	11.8952 ± 0.001 Å
b	17.2829 ± 0.0014 Å
c	19.3699 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3982.1 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300863 (current)	2025-07-06	cif/ Updating files of 7718451, 7718452, 7718453, 7718454, 7718455, 7718456, 7718457, 7718458 Original log message: Adding full bibliography for 7718451--7718458.cif.	7718457.cif
298665	2025-04-01	cif/ Adding structures of 7718451, 7718452, 7718453, 7718454, 7718455, 7718456, 7718457, 7718458 via cif-deposit CGI script.	7718457.cif