Crystallography Open Database

Information card for entry 1556871

Preview

Coordinates	1556871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H27 F20 Fe N5
Calculated formula	C59 H27 F20 Fe N5
Title of publication	Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.
Authors of publication	Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming
Journal of publication	Chemical science
Year of publication	2020
Journal volume	11
Journal issue	8
Pages of publication	2243 - 2259
a	10.5317 ± 0.0015 Å
b	14.347 ± 0.002 Å
c	17.434 ± 0.003 Å
α	76.71 ± 0.005°
β	80.147 ± 0.004°
γ	84.826 ± 0.004°
Cell volume	2522.3 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1307
Residual factor for significantly intense reflections	0.0898
Weighted residual factors for significantly intense reflections	0.2437
Weighted residual factors for all reflections included in the refinement	0.2779
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	1.34138 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
250219 (current)	2020-04-05	cif/ Updating files of 1556869, 1556870, 1556871, 1556872, 1556873 Original log message: Adding full bibliography for 1556869--1556873.cif.	1556871.cif
248869	2020-03-05	cif/ Updating files of 1556869, 1556870, 1556871, 1556872, 1556873 Original log message: Adding full bibliography for 1556869--1556873.cif.	1556871.cif
246356	2020-01-01	cif/ Adding structures of 1556869, 1556870, 1556871, 1556872, 1556873 via cif-deposit CGI script.	1556871.cif