Crystallography Open Database

Information card for entry 1571013

Preview

Coordinates	1571013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H102 Cl N7 Si3 Zn3
Calculated formula	C58 H102 Cl N7 Si3 Zn3
Title of publication	Cluster dynamics of heterometallic trinuclear clusters during ligand substitution, redox chemistry, and group transfer processes.
Authors of publication	Juda, Cristin E.; Handford, Rex C.; Bartholomew, Amymarie K.; Powers, Tamara M.; Gu, Nina X.; Meyer, Elisabeth; Roth, Nikolaj; Chen, Yu-Sheng; Zheng, Shao-Liang; Betley, Theodore A.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	21
Pages of publication	8242 - 8248
a	27.1744 ± 0.0009 Å
b	19.1482 ± 0.0007 Å
c	27.5979 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	14360.3 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0721
Weighted residual factors for all reflections included in the refinement	0.0791
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
292936 (current)	2024-07-05	cif/ Updating files of 1571003, 1571004, 1571005, 1571006, 1571007, 1571008, 1571009, 1571010, 1571011, 1571012, 1571013, 1571014, 1571015 Original log message: Adding full bibliography for 1571003--1571015.cif.	1571013.cif
289830	2024-02-16	cif/ Adding structures of 1571003, 1571004, 1571005, 1571006, 1571007, 1571008, 1571009, 1571010, 1571011, 1571012, 1571013, 1571014, 1571015 via cif-deposit CGI script.	1571013.cif