Crystallography Open Database

Information card for entry 4134694

Preview

Coordinates	4134694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H94 Mn4 N32 O18
Calculated formula	C136 H94 Mn4 N32 O18
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	10.8346 ± 0.0004 Å
b	16.7939 ± 0.0006 Å
c	19.7458 ± 0.0007 Å
α	107.577 ± 0.002°
β	92.476 ± 0.002°
γ	97.574 ± 0.002°
Cell volume	3382.1 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.02 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.126
Residual factor for significantly intense reflections	0.0817
Weighted residual factors for significantly intense reflections	0.2608
Weighted residual factors for all reflections included in the refinement	0.2928
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
251461 (current)	2020-05-04	cif/ Updating files of 4134690, 4134691, 4134692, 4134693, 4134694 Original log message: Adding full bibliography for 4134690--4134694.cif.	4134694.cif
250720	2020-04-14	cif/ Adding structures of 4134690, 4134691, 4134692, 4134693, 4134694 via cif-deposit CGI script.	4134694.cif