Crystallography Open Database

Information card for entry 7134133

Preview

Coordinates	7134133.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H58 Cl Fe P2 Rh
Calculated formula	C32 H58 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	31.649 ± 0.016 Å
b	11.405 ± 0.004 Å
c	18.757 ± 0.009 Å
α	90°
β	105.453 ± 0.008°
γ	90°
Cell volume	6526 ± 5 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0988
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1268
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
298031 (current)	2025-03-04	cif/ Updating files of 7134131, 7134132, 7134133, 7134134, 7134135 Original log message: Adding full bibliography for 7134131--7134135.cif.	7134133.cif
297190	2025-01-08	cif/ Adding structures of 7134131, 7134132, 7134133, 7134134, 7134135 via cif-deposit CGI script.	7134133.cif