Crystallography Open Database

Information card for entry 4088957

Preview

Coordinates	4088957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 Cl4 Ir2
Calculated formula	C26 H42 Cl4 Ir2
SMILES	[c]12([c]3([c]4([c]5([c]1(CCCC)[Ir]12345(Cl)[Cl][Ir]2345([c]6([c]2([c]3([c]4([c]56CCCC)C)C)C)C)(Cl)[Cl]1)C)C)C)C
Title of publication	Rapid Access to Derivatized, Dimeric, Ring-Substituted Dichloro(cyclopentadienyl)rhodium(III) and Iridium(III) Complexes
Authors of publication	Brown, Loren C.; Ressegue, Emily; Merola, Joseph S.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	24
Pages of publication	4014
a	8.7695 ± 0.0003 Å
b	8.8947 ± 0.0004 Å
c	9.5445 ± 0.0003 Å
α	109.693 ± 0.004°
β	100.752 ± 0.003°
γ	92.206 ± 0.003°
Cell volume	684.49 ± 0.05 Å³
Cell temperature	99 ± 2 K
Ambient diffraction temperature	99 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0629
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
237902 (current)	2019-11-24	cif/ Adding structures of 4088956, 4088957, 4088958, 4088959, 4088960, 4088961, 4088962, 4088963, 4088964, 4088965, 4088966, 4088967, 4088968, 4088969, 4088970, 4088971, 4088972, 4088973 via cif-deposit CGI script.	4088957.cif