Crystallography Open Database

Information card for entry 7205959

7205958 << 7205959 >> 7205960

Preview

Coordinates	7205959.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99.5 H120.5 Cd4 N15.5 O35.5
Calculated formula	C77 H52 Cd4 N8 O20
Title of publication	Pore-size tuning in double-pillared metal‒organic frameworks containing cadmium clusters
Authors of publication	Lin, Zu-Jin; Liu, Tian-Fu; Xu, Bo; Han, Li-Wei; Huang, Yuan-Biao; Cao, Rong
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	10
Pages of publication	3321
a	17.322 ± 0.002 Å
b	17.322 ± 0.002 Å
c	23.419 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	7026.9 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	128
Hermann-Mauguin space group symbol	P 4/m n c
Hall space group symbol	-P 4 2n
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0601
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.1687
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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.	7205959.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7205959.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7205959.cif
21298	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7205958, 7205959, 7205960, 7205961 via cif-deposit CGI script.	7205959.cif