Crystallography Open Database

Information card for entry 4134692

Preview

Coordinates	4134692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H84 Cl6 Co4 N24 O38
Calculated formula	C90 H92 Cl6 Co4 N24 O38
Title of publication	Subcomponent Self-Assembly of Covalent Metallacycles Templated by Catalytically Active Seven-Coordinate Transition Metal Centers.
Authors of publication	Li, Zhi-Wei; Wang, Xin; Wei, Lian-Qiang; Ivanović-Burmazović, Ivana; Liu, Gao-Feng
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	16
Pages of publication	7283 - 7288
a	47.019 ± 0.002 Å
b	8.0598 ± 0.0003 Å
c	41.8518 ± 0.0019 Å
α	90°
β	123.828 ± 0.004°
γ	90°
Cell volume	13175.4 ± 1.1 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.174
Residual factor for significantly intense reflections	0.1293
Weighted residual factors for significantly intense reflections	0.3523
Weighted residual factors for all reflections included in the refinement	0.3894
Goodness-of-fit parameter for all reflections included in the refinement	1.228
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
251461 (current)	2020-05-04	cif/ Updating files of 4134690, 4134691, 4134692, 4134693, 4134694 Original log message: Adding full bibliography for 4134690--4134694.cif.	4134692.cif
250720	2020-04-14	cif/ Adding structures of 4134690, 4134691, 4134692, 4134693, 4134694 via cif-deposit CGI script.	4134692.cif