Crystallography Open Database

Information card for entry 7036440

Preview

Coordinates	7036440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H86 Cs Mo12 N6 Na9 Ni6 O101 P8
Calculated formula	C18 H30 Cs Mo12 N6 Na9 Ni6 O101 P8
Title of publication	Grafting transition metal-organophosphonate fragments onto heteropolyoxomolybdate: activity in photocatalysis.
Authors of publication	Sun, Xiaopeng; Liang, Zhijie; Ma, Pengtao; Ban, Ran; Jiang, Mingshuang; Zhang, Dongdi; Wang, Jingping; Niu, Jingyang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	40
Pages of publication	17544 - 17550
a	14.8247 ± 0.0008 Å
b	45.237 ± 0.002 Å
c	18.8324 ± 0.0009 Å
α	90°
β	103.371 ± 0.001°
γ	90°
Cell volume	12287.1 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
161944 (current)	2015-10-09	cif/ Updating files of 7036440 Original log message: Adding full bibliography for 7036440.cif.	7036440.cif
155490	2015-09-09	cif/ Adding structures of 7036440 via cif-deposit CGI script.	7036440.cif