Crystallography Open Database

Information card for entry 7021414

Preview

Coordinates	7021414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cu3 Mo12 N6 O44 P
Calculated formula	C12 H12 Cu3 Mo12 N6 O44 P
Title of publication	Three new three-dimensional organic-inorganic hybrid compounds based on PMo12O40(n-) (n = 3 or 4) polyanions and Cu(I)-pyrazine/Cu(I)-pyrazine-Cl porous coordination polymers.
Authors of publication	Qi, Ming-Li; Yu, Kai; Su, Zhan-Hua; Wang, Chun-Xiao; Wang, Chun-Mei; Zhou, Bai-Bin; Zhu, Chun-Cheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	21
Pages of publication	7586 - 7594
a	26.0634 ± 0.0005 Å
b	26.0634 ± 0.0005 Å
c	26.0634 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	17704.9 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
Space group number	230
Hermann-Mauguin space group symbol	I a -3 d
Hall space group symbol	-I 4bd 2c 3
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1544
Weighted residual factors for all reflections included in the refinement	0.1554
Goodness-of-fit parameter for all reflections included in the refinement	1.174
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
179919 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/14.	7021414.cif
86930	2013-07-12	cif/ Adding structures of 7021414, 7021415, 7021416 via cif-deposit CGI script.	7021414.cif