Crystallography Open Database

Information card for entry 4342235

Preview

Coordinates	4342235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12.56 H9.76 O7 V
Calculated formula	C12.56 H8.8 O7 V
Title of publication	Two Distinct Redox Intercalation Reactions of Hydroquinone with Porous Vanadium Benzenedicarboxylate MIL-47.
Authors of publication	Kaveevivitchai, Watchareeya; Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1822 - 1828
a	12.6011 ± 0.0013 Å
b	17.2874 ± 0.0018 Å
c	13.7364 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2992.3 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0944
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1685
Weighted residual factors for all reflections included in the refinement	0.2124
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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
179525 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/22.	4342235.cif
132812	2015-03-04	cif/ Updating files of 4342234, 4342235 Original log message: Adding full bibliography for 4342234--4342235.cif.	4342235.cif
130444	2015-02-04	cif/ Adding structures of 4342235 via cif-deposit CGI script.	4342235.cif