Crystallography Open Database

Information card for entry 7134946

Preview

Coordinates	7134946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H64.5 B F24 N6 Ni2 O5.75
Calculated formula	C72 H57 B F24 N6 Ni2 O5
Title of publication	Synthesis and electronic structure elucidation of bioinspired heterobimetallic nickel complexes.
Authors of publication	Patterson, Claire R.; Oyala, Paul H.; Buss, Joshua A.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	66
Pages of publication	12345 - 12348
a	12.952 ± 0.0002 Å
b	17.1844 ± 0.0003 Å
c	35.8757 ± 0.0004 Å
α	80.209 ± 0.001°
β	80.119 ± 0.001°
γ	75.351 ± 0.001°
Cell volume	7543.3 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.0509
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.1054
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
302002 (current)	2025-09-04	cif/ Adding structures of 7134943, 7134944, 7134945, 7134946 via cif-deposit CGI script.	7134946.cif