Crystallography Open Database

Information card for entry 1518909

Preview

Coordinates	1518909.cif

Structure parameters

Formula	C31 H32 N3 O8 Zn
Calculated formula	C31.04 H32.08 N3 O8 Zn
Title of publication	Synthesis of chiral porous coordination polymer that shows structural transformation induced by guest molecules
Authors of publication	Takashi Kitao; Yuta Tokunaga; Daiki Umeyama; Cho Rong Kim; Takashi Uemura; Susumu Kitagawa
Journal of publication	Inorganica Chimica Acta
Year of publication	2015
Journal volume	424
Pages of publication	221 - 225
a	21.441 ± 0.005 Å
b	21.441 ± 0.005 Å
c	9.655 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	4438.6 ± 1.7 Å³
Cell temperature	283 ± 2 K
Ambient diffraction temperature	283 ± 2 K
Number of distinct elements	5
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.0952
Residual factor for significantly intense reflections	0.0862
Weighted residual factors for significantly intense reflections	0.2284
Weighted residual factors for all reflections included in the refinement	0.2342
Goodness-of-fit parameter for all reflections included in the refinement	1.509
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518909.cif
134490	2015-03-28	cif/ Adding structures of 1518909 via cif-deposit CGI script.	1518909.cif