Crystallography Open Database

Information card for entry 7214517

Preview

Coordinates	7214517.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H80 Cd4 N16 O28.5
Calculated formula	C120 H80 Cd4 N16 O28.5
Title of publication	Construction and modulation of structural diversity in acylamide-MOFs
Authors of publication	Huang, Shu-Yun; Li, Jian-Qiang; Liu, Shu-Juan; Ning, Yang; Meng, Li-Na; Li, Jin-Yuan; Luo, Ming-Biao; Luo, Feng
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	25
Pages of publication	5608
a	10.7918 ± 0.0004 Å
b	22.0438 ± 0.0009 Å
c	29.3454 ± 0.0011 Å
α	78.661 ± 0.002°
β	81.342 ± 0.002°
γ	83.766 ± 0.003°
Cell volume	6744.3 ± 0.5 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	0.0778
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1537
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7214517.cif
116167	2014-06-07	cif/ Updating files of 7214516, 7214517, 7214518, 7214519, 7214520, 7214521, 7214522 Original log message: Adding full bibliography for 7214516--7214522.cif.	7214517.cif
110112	2014-04-18	cif/ Adding structures of 7214516, 7214517, 7214518, 7214519, 7214520, 7214521, 7214522 via cif-deposit CGI script.	7214517.cif