Crystallography Open Database

Information card for entry 1570985

Preview

Coordinates	1570985.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H66 Cl2 Mn2 N6 O8
Calculated formula	C64 H66 Cl2 Mn2 N6 O8
Title of publication	Controlling product selectivity during dioxygen reduction with Mn complexes using pendent proton donor relays and added base.
Authors of publication	Cook, Emma N.; Courter, Ian M.; Dickie, Diane A.; Machan, Charles W.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	12
Pages of publication	4478 - 4488
a	15.378 ± 0.0004 Å
b	9.8097 ± 0.0002 Å
c	20.2954 ± 0.0005 Å
α	90°
β	109.076 ± 0.0018°
γ	90°
Cell volume	2893.51 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0695
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1376
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
290870 (current)	2024-04-05	cif/ Updating files of 1570985, 1570986 Original log message: Adding full bibliography for 1570985--1570986.cif.	1570985.cif
289803	2024-02-14	cif/ Adding structures of 1570985, 1570986 via cif-deposit CGI script.	1570985.cif