Crystallography Open Database

Information card for entry 7129196

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Coordinates	7129196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H47 B Cl2 F4 Ir N3 O2 P2
Calculated formula	C53 H47 B Cl2 F4 Ir N3 O2 P2
Title of publication	Modulation of H<sup>+</sup>/H<sup>-</sup> exchange in iridium-hydride 2-hydroxypyridine complexes by remote Lewis acids.
Authors of publication	Shanahan, J. P.; Moore, C. M.; Kampf, Jeff W.; Szymczak, N. K.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	88
Pages of publication	11705 - 11708
a	11.0219 ± 0.0001 Å
b	22.6904 ± 0.0001 Å
c	19.9096 ± 0.0001 Å
α	90°
β	105.642 ± 0.001°
γ	90°
Cell volume	4794.81 ± 0.06 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	9
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	0.0363
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.097
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.133
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
270302 (current)	2021-11-04	cif/ Adding structures of 7129196, 7129197, 7129198, 7129199 via cif-deposit CGI script.	7129196.cif