Crystallography Open Database

Information card for entry 7219217

7219216 << 7219217 >> 7219218

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Coordinates	7219217.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H22 N6 O5 Zn
Calculated formula	C23 H14 N6 O5 Zn
Title of publication	An interpenetrating amine-functionalized metal‒organic framework as an efficient and reusable catalyst for the selective synthesis of tetrahydro-chromenes
Authors of publication	Safarifard, Vahid; Beheshti, Saeideh; Morsali, Ali
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	7
Pages of publication	1680
a	15.655 ± 0.003 Å
b	16.561 ± 0.003 Å
c	21.2 ± 0.003 Å
α	90°
β	120.567 ± 0.009°
γ	90°
Cell volume	4732.6 ± 1.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1354
Residual factor for significantly intense reflections	0.0805
Weighted residual factors for significantly intense reflections	0.1589
Weighted residual factors for all reflections included in the refinement	0.1747
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180523 (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 7/21/92.	7219217.cif
133169	2015-03-06	cif/ Updating files of 7219217 Original log message: Adding full bibliography for 7219217.cif.	7219217.cif
129407	2015-01-07	cif/ Adding structures of 7219217 via cif-deposit CGI script.	7219217.cif