Crystallography Open Database

Information card for entry 4342631

Preview

Coordinates	4342631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H162 Br Cr Mo6 N5 O26
Calculated formula	C68 H158.12 Br Cr Mo6 N5 O25.56
Title of publication	Step-by-Step Strategy from Achiral Precursors to Polyoxometalates-Based Chiral Organic-Inorganic Hybrids.
Authors of publication	Zhang, Jiangwei; Luo, Jianhui; Wang, Pingmei; Ding, Bin; Huang, Yichao; Zhao, Zhenlin; Zhang, Jin; Wei, Yongge
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	6
Pages of publication	2551 - 2559
a	16.314 ± 0.0013 Å
b	15.3614 ± 0.0006 Å
c	18.1903 ± 0.0008 Å
α	90°
β	92.867 ± 0.007°
γ	90°
Cell volume	4552.9 ± 0.5 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0861
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179529 (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 4/34/26.	4342631.cif
134780	2015-04-04	cif/ Updating files of 4342631, 4342632, 4342633, 4342634, 4342635, 4342636, 4342637 Original log message: Adding full bibliography for 4342631--4342637.cif.	4342631.cif
133140	2015-03-06	cif/ Adding structures of 4342631, 4342632, 4342633, 4342634, 4342635, 4342636, 4342637 via cif-deposit CGI script.	4342631.cif