Crystallography Open Database

Information card for entry 7134135

Preview

Coordinates	7134135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H70 Cl Fe P4 Rh
Calculated formula	C50 H70 Cl Fe P4 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	12.544 ± 0.005 Å
b	24.608 ± 0.008 Å
c	15.96 ± 0.005 Å
α	90°
β	101.5 ± 0.017°
γ	90°
Cell volume	4828 ± 3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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.	7134135.cif
297190	2025-01-08	cif/ Adding structures of 7134131, 7134132, 7134133, 7134134, 7134135 via cif-deposit CGI script.	7134135.cif