Crystallography Open Database

Information card for entry 7215964

Preview

Coordinates	7215964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H45 N11 O13 Zn2
Calculated formula	C41 H45 N11 O13 Zn2
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	11.0697 ± 0.0006 Å
b	22.2083 ± 0.0011 Å
c	19.5333 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4802.1 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0956
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1738
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	7215964.cif
113864	2014-05-16	cif/ Adding structures of 7215964, 7215965, 7215966, 7215967 via cif-deposit CGI script.	7215964.cif