Crystallography Open Database

Information card for entry 7215967

Preview

Coordinates	7215967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H86 N20 O18 Zn4
Calculated formula	C94 H86 N20 O18 Zn4
Title of publication	Construction of 2D interwoven and 3D interpenetrated metal‒organic frameworks of Zn(ii) by varying N,N′-donor spacers
Authors of publication	Nagaraja, C. M.; Ugale, Bharat; Chanthapally, Anjana
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	22
Pages of publication	4805
a	10.7575 ± 0.0004 Å
b	15.318 ± 0.0006 Å
c	29.3906 ± 0.0013 Å
α	81.112 ± 0.001°
β	87.711 ± 0.001°
γ	84.536 ± 0.001°
Cell volume	4761.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1001
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1337
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
180490 (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 7/21/59.	7215967.cif
113864	2014-05-16	cif/ Adding structures of 7215964, 7215965, 7215966, 7215967 via cif-deposit CGI script.	7215967.cif