Crystallography Open Database

Information card for entry 7041170

Preview

Coordinates	7041170.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H134 B2 Mn Mo6 N5 O28
Calculated formula	C22 B2 Mn Mo6 N2 O28
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	24.0713 ± 0.0006 Å
b	14.3578 ± 0.0005 Å
c	28.5472 ± 0.0015 Å
α	90°
β	94.407 ± 0.003°
γ	90°
Cell volume	9837.1 ± 0.7 Å³
Cell temperature	130 ± 0.1 K
Ambient diffraction temperature	130 ± 0.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0742
Weighted residual factors for significantly intense reflections	0.2487
Weighted residual factors for all reflections included in the refinement	0.2647
Goodness-of-fit parameter for all reflections included in the refinement	1.147
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.	7041170.cif
188400	2016-11-12	cif/ Adding structures of 7041170, 7041171, 7041172 via cif-deposit CGI script.	7041170.cif