Crystallography Open Database

Information card for entry 1548979

Preview

Coordinates	1548979.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MFM-300V3-1.0CD4
Formula	C9.01 H4 D4.06 O5 V
Calculated formula	C9.0132 H4 D4.0568 O5 V
Title of publication	Direct observation of supramolecular binding of light hydrocarbons in vanadium(iii) and (iv) metal-organic framework materials.
Authors of publication	Lu, Zhenzhong; Godfrey, Harry G. W.; da Silva, Ivan; Cheng, Yongqiang; Savage, Mathew; Manuel, Pascal; Rudić, Svemir; Ramirez-Cuesta, Anibal J; Yang, Sihai; Schröder, Martin
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	13
Pages of publication	3401 - 3408
a	15.16316 ± 0.00015 Å
b	15.16316 ± 0.00015 Å
c	12.0746 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2776.21 ± 0.06 Å³
Cell temperature	7 K
Ambient diffraction temperature	7 K
Number of distinct elements	5
Space group number	98
Hermann-Mauguin space group symbol	I 41 2 2
Hall space group symbol	I 4bw 2bw
Goodness-of-fit parameter for all reflections	1.49
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
228778 (current)	2019-11-17	cif/ Updating files of 1548977, 1548978, 1548979, 1548980, 1548981, 1548982, 1548983 Original log message: Adding full bibliography for 1548977--1548983.cif.	1548979.cif
206565	2018-02-22	cif/ Adding structures of 1548979 via cif-deposit CGI script.	1548979.cif