Crystallography Open Database

Information card for entry 7119979

7119978 << 7119979 >> 7119980

Preview

Coordinates	7119979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H124 Mo12 N5 O45 P Zn4
Calculated formula	C72 H124 Mo12 N5 O45 P Zn4
Title of publication	Diamondoid-structured polymolybdate-based metal-organic frameworks as high-capacity anodes for lithium-ion batteries.
Authors of publication	Wang, Yuan-Yuan; Zhang, Mi; Li, Shun-Li; Zhang, Shu-Ran; Xie, Wei; Qin, Jun-Sheng; Su, Zhong-Min; Lan, Ya-Qian
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	37
Pages of publication	5204 - 5207
a	29.4436 ± 0.0011 Å
b	29.4436 ± 0.0011 Å
c	54.543 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	47285 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.13
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.2024
Weighted residual factors for all reflections included in the refinement	0.2348
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
196264 (current)	2017-05-06	cif/ Updating files of 7119979, 7119980 Original log message: Adding full bibliography for 7119979--7119980.cif.	7119979.cif
195527	2017-04-19	cif/ Adding structures of 7119979, 7119980 via cif-deposit CGI script.	7119979.cif