Crystallography Open Database

Information card for entry 1515401

Preview

Coordinates	1515401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.8 H50.6 B F15 Mg N2 O4
Calculated formula	C56.8 H50.6 B F15 Mg N2 O4
Title of publication	Selective reduction of CO2 to a methanol equivalent by B(C6F5)3-activated alkaline earth catalysis
Authors of publication	Anker, Mathew D.; Arrowsmith, Merle; Bellham, Peter; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.; Weetman, Catherine
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	7
Pages of publication	2826
a	25.258 ± 0.0008 Å
b	12.873 ± 0.0004 Å
c	34.507 ± 0.001 Å
α	90°
β	99.746 ± 0.001°
γ	90°
Cell volume	11057.9 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.1395
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.1862
Weighted residual factors for all reflections included in the refinement	0.2228
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1515401.cif
116148	2014-06-07	cif/ Updating files of 1515400, 1515401 Original log message: Adding full bibliography for 1515400--1515401.cif.	1515401.cif
111650	2014-04-25	cif/ Adding structures of 1515400, 1515401 via cif-deposit CGI script.	1515401.cif