Crystallography Open Database

Information card for entry 7041171

Preview

Coordinates	7041171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H284 B4 Mn2 Mo12 N10 O56
Calculated formula	C110.572 H34 B4 Mn2 Mo12 N9.3332 O56.7972
Title of publication	Boronic acid and boronic ester containing polyoxometalates.
Authors of publication	Karoui, Hedi; Ritchie, Chris
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	47
Pages of publication	18838 - 18841
a	22.8863 ± 0.0008 Å
b	24.7348 ± 0.0007 Å
c	18.1665 ± 0.0006 Å
α	90°
β	93.009 ± 0.003°
γ	90°
Cell volume	10269.7 ± 0.6 Å³
Cell temperature	130 ± 0.1 K
Ambient diffraction temperature	130 ± 0.1 K
Number of distinct elements	7
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	0.1975
Residual factor for significantly intense reflections	0.1071
Weighted residual factors for significantly intense reflections	0.2975
Weighted residual factors for all reflections included in the refinement	0.3789
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
190206 (current)	2017-01-09	cif/ Updating files of 7041170, 7041171, 7041172 Original log message: Adding full bibliography for 7041170--7041172.cif.	7041171.cif
188400	2016-11-12	cif/ Adding structures of 7041170, 7041171, 7041172 via cif-deposit CGI script.	7041171.cif