Crystallography Open Database

Information card for entry 7037223

Preview

Coordinates	7037223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H53 Ir N4
Calculated formula	C56 H53 Ir N4
Title of publication	User-friendly aerobic reductive alkylation of iridium(iii) porphyrin chloride with potassium hydroxide: scope and mechanism.
Authors of publication	Zuo, Huiping; Liu, Zhipeng; Yang, Wu; Zhou, Zhikuan; Chan, Kin Shing
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	47
Pages of publication	20618 - 20625
a	10.4399 ± 0.0003 Å
b	14.3879 ± 0.0004 Å
c	16.0385 ± 0.0004 Å
α	66.238 ± 0.001°
β	78.212 ± 0.001°
γ	83.37 ± 0.001°
Cell volume	2156.91 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0219
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0597
Goodness-of-fit parameter for all reflections included in the refinement	1.187
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
171246 (current)	2015-12-09	cif/ Updating files of 7037223, 7037224, 7037225, 7037226 Original log message: Adding full bibliography for 7037223--7037226.cif.	7037223.cif
170297	2015-11-14	cif/ Adding structures of 7037223, 7037224, 7037225, 7037226 via cif-deposit CGI script.	7037223.cif