Crystallography Open Database

Information card for entry 7134131

Preview

Coordinates	7134131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H54 Cl Fe P2 Rh
Calculated formula	C31 H54 Cl Fe P2 Rh
Title of publication	Ring strain governs transmetalation behaviour at a tucked-in iron complex.
Authors of publication	Durfy, Connor S.; Huang, Michelle; Zurakowski, Joseph A.; Boyle, Paul D.; Drover, Marcus W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	16
Pages of publication	3323 - 3326
a	10.804 ± 0.005 Å
b	12.852 ± 0.006 Å
c	13.813 ± 0.008 Å
α	64.45 ± 0.02°
β	67.097 ± 0.011°
γ	83.367 ± 0.016°
Cell volume	1590.8 ± 1.4 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 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	0.0584
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0844
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
298031 (current)	2025-03-04	cif/ Updating files of 7134131, 7134132, 7134133, 7134134, 7134135 Original log message: Adding full bibliography for 7134131--7134135.cif.	7134131.cif
297190	2025-01-08	cif/ Adding structures of 7134131, 7134132, 7134133, 7134134, 7134135 via cif-deposit CGI script.	7134131.cif