Crystallography Open Database

Information card for entry 4343327

Preview

Coordinates	4343327.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H113 Mo6 N3 O20
Calculated formula	C57 H113 Mo6 N3 O20
SMILES	[Mo]1234([O]5678[Mo]9%10(=O)(O[Mo]%117(=O)(O1)O[Mo]18(=O)(O[Mo]6(=O)(O%11)(O[Mo]5(=O)(O%10)(O4)O1)O2)O9)O3)=Nc1c(cc(OC(=O)CCCCCCCCCCCCCCCCC)cc1)C.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
Title of publication	Synthesis and Crystallization Behavior of Surfactants with Hexamolybdate as the Polar Headgroup.
Authors of publication	Zhu, Li; Chen, Kun; Hao, Jian; Wei, Zheyu; Zhang, Haocheng; Yin, Panchao; Wei, Yongge
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	13
Pages of publication	6075 - 6077
a	11.93 ± 0.002 Å
b	12.056 ± 0.002 Å
c	28.428 ± 0.006 Å
α	78.48 ± 0.03°
β	82.98 ± 0.03°
γ	62.29 ± 0.03°
Cell volume	3544.9 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0537
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
141327 (current)	2015-07-08	cif/ Updating files of 4343325, 4343326, 4343327 Original log message: Adding full bibliography for 4343325--4343327.cif.	4343327.cif
139163	2015-06-14	cif/ Adding structures of 4343327 via cif-deposit CGI script.	4343327.cif