Crystallography Open Database

Information card for entry 4508674

Preview

Coordinates	4508674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H79 Mo6 N3 O18
Calculated formula	C42 H79 Mo6 N3 O18
Title of publication	Naphthyl Amines as Novel Organoimido Ligands for Design of POM-Based Organic−Inorganic Hybrids: Synthesis, Structural Characterization, and Supramolecular Assembly of (Bu4N)2[Mo6O18N(Naph-1)]
Authors of publication	Zhu, Yi; Xiao, Zicheng; Ge, Ning; Wang, Na; Wei, Yongge; Wang, Yuan
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	7
Pages of publication	1620
a	12.84 ± 0.003 Å
b	22.688 ± 0.005 Å
c	19.722 ± 0.004 Å
α	90°
β	104.54 ± 0.03°
γ	90°
Cell volume	5561 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1321
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0514
Weighted residual factors for all reflections included in the refinement	0.0607
Goodness-of-fit parameter for all reflections included in the refinement	0.635
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
179622 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/86.	4508674.cif
96842	2014-01-29	cif/ Adding structures of 4508674 via cif-deposit CGI script.	4508674.cif