Crystallography Open Database

Information card for entry 7129199

Preview

Coordinates	7129199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53.75 H48.5 Cl1.5 Ir N3 O2.5 P2
Calculated formula	C53.75 H48.5 Cl1.5 Ir N3 O2.5 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	15.951 ± 0.0001 Å
b	27.4111 ± 0.0002 Å
c	23.7638 ± 0.0001 Å
α	90°
β	103.551 ± 0.001°
γ	90°
Cell volume	10101.1 ± 0.11 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.055
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1341
Weighted residual factors for all reflections included in the refinement	0.1406
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	7129199.cif