Crystallography Open Database

Information card for entry 7219625

7219624 << 7219625 >> 7219626

Preview

Coordinates	7219625.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H74 Cd N8 O12
Calculated formula	C80 H64 Cd N8 O12
Title of publication	A huge diamondoid metal‒organic framework with a neo-mode of tenfold interpenetration
Authors of publication	Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Tsai, Chen-Chuan; Lu, Kuang-Lieh
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	15
Pages of publication	2935
a	12.7832 ± 0.0001 Å
b	12.7832 ± 0.0001 Å
c	32.5345 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	5316.47 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	86
Hermann-Mauguin space group symbol	P 42/n :2
Hall space group symbol	-P 4bc
Residual factor for all reflections	0.1059
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1404
Weighted residual factors for all reflections included in the refinement	0.155
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
180527 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/96.	7219625.cif
134913	2015-04-06	cif/ Updating files of 7219625 Original log message: Adding full bibliography for 7219625.cif.	7219625.cif
132193	2015-02-21	cif/ Adding structures of 7219625 via cif-deposit CGI script.	7219625.cif