Crystallography Open Database

Information card for entry 1549367

Preview

Coordinates	1549367.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(TAP)Co
Formula	C54 H42 Co N4 O4
Calculated formula	C54 H42 Co N4 O4
SMILES	[Co]123n4c5=C(c6[n]1c(=C(c1n2c(cc1)C(=c1[n]3c(cc1)C(=c4cc5)c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccc(OC)cc1)cc6)c1ccc(OC)cc1.c1ccccc1
Title of publication	Thermodynamic and reactivity studies of a tin corrole-cobalt porphyrin heterobimetallic complex.
Authors of publication	Wang, Zikuan; Yao, Zhengmin; Lyu, Zeyu; Xiong, Qinsi; Wang, Bingwu; Fu, Xuefeng
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	22
Pages of publication	4999 - 5007
a	14.361 ± 0.003 Å
b	9.517 ± 0.0019 Å
c	15.449 ± 0.003 Å
α	90°
β	99.257 ± 0.003°
γ	90°
Cell volume	2084 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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
228646 (current)	2019-11-17	cif/ Updating files of 1549367, 1549368, 1549369, 1549370, 1549371 Original log message: Adding full bibliography for 1549367--1549371.cif.	1549367.cif
207616	2018-05-02	cif/ Adding structures of 1549367, 1549368, 1549369, 1549370, 1549371 via cif-deposit CGI script.	1549367.cif