Crystallography Open Database

Information card for entry 7121407

Preview

Coordinates	7121407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H31 Ir N3 P
Calculated formula	C30 H31 Ir N3 P
Title of publication	Hydrogenation of an iridium-coordinated imidazol-2-ylidene ligand fragment.
Authors of publication	Hernández-Juárez, M; López-Serrano, J; González-Herrero, P; Rendón, N; Álvarez, E; Paneque, M.; Suárez, A
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	31
Pages of publication	3843 - 3846
a	9.6983 ± 0.0004 Å
b	20.8545 ± 0.0007 Å
c	12.7013 ± 0.0004 Å
α	90°
β	97.551 ± 0.001°
γ	90°
Cell volume	2546.6 ± 0.16 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
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	0.0176
Residual factor for significantly intense reflections	0.0155
Weighted residual factors for significantly intense reflections	0.0386
Weighted residual factors for all reflections included in the refinement	0.0393
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
228429 (current)	2019-11-17	cif/ Updating files of 7121406, 7121407, 7121408 Original log message: Adding full bibliography for 7121406--7121408.cif.	7121407.cif
207041	2018-03-22	cif/ Adding structures of 7121406, 7121407, 7121408 via cif-deposit CGI script.	7121407.cif