Crystallography Open Database

Information card for entry 7048433

Preview

Coordinates	7048433.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[InH3(IPr*)]
Chemical name	(1,3-bis(2,6-bis(diphenylmethyl)-4-methylphenyl)imidazol-2-ylidene)-trihydrido-indium
Formula	C69 H59 In N2
Calculated formula	C69 H59 In N2
Title of publication	An exceptionally stable NHC complex of indane (InH<sub>3</sub>).
Authors of publication	Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	5
Pages of publication	1591 - 1594
a	14.9001 ± 0.0003 Å
b	18.1641 ± 0.0004 Å
c	19.6086 ± 0.0004 Å
α	90°
β	90.204 ± 0.001°
γ	90°
Cell volume	5306.97 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.01 K
Number of distinct elements	4
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	0.0438
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1021
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
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
224005 (current)	2019-11-07	cif/ Updating files of 7048432, 7048433, 7048434 Original log message: Adding full bibliography for 7048432--7048434.cif.	7048433.cif
212743	2018-12-22	cif/ Adding structures of 7048432, 7048433, 7048434 via cif-deposit CGI script.	7048433.cif