Crystallography Open Database

Information card for entry 1548749

Preview

Coordinates	1548749.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	nitro-pentaammine-Co(III)-chloride-nitrate
Formula	Cl Co H15 N7 O5
Calculated formula	Cl Co H15 N7 O5
Title of publication	Quantification of photoinduced bending of dynamic molecular crystals: from macroscopic strain to kinetic constants and activation energies.
Authors of publication	Chizhik, Stanislav; Sidelnikov, Anatoly; Zakharov, Boris; Naumov, Panče; Boldyreva, Elena
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	8
Pages of publication	2319 - 2335
a	14.8308 ± 0.0013 Å
b	7.2957 ± 0.0004 Å
c	9.6188 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1040.76 ± 0.12 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.165
Diffraction radiation wavelength	0.4109 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228679 (current)	2019-11-17	cif/ Updating files of 1548738, 1548739, 1548740, 1548741, 1548742, 1548743, 1548744, 1548745, 1548746, 1548747, 1548748, 1548749 Original log message: Adding full bibliography for 1548738--1548749.cif.	1548749.cif
205477	2018-01-23	cif/ Adding structures of 1548738, 1548739, 1548740, 1548741, 1548742, 1548743, 1548744, 1548745, 1548746, 1548747, 1548748, 1548749 via cif-deposit CGI script.	1548749.cif