Crystallography Open Database

Information card for entry 1504516

Preview

Coordinates	1504516.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H122 Cl12 N16 O4 Zn2
Calculated formula	C122 H122 Cl12 N16 O4 Zn2
Title of publication	Dimeric assemblies from 1,2,3-triazole-appended Zn(II) porphyrins with control of NH-tautomerism in 1,2,3-triazole.
Authors of publication	Maeda, Chihiro; Yamaguchi, Shigeru; Ikeda, Chusaku; Shinokubo, Hiroshi; Osuka, Atsuhiro
Journal of publication	Organic letters
Year of publication	2008
Journal volume	10
Journal issue	4
Pages of publication	549 - 552
a	17.527 ± 0.005 Å
b	19.313 ± 0.005 Å
c	19.41 ± 0.005 Å
α	80.678 ± 0.005°
β	70.485 ± 0.005°
γ	70.749 ± 0.005°
Cell volume	5837 ± 3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1295
Residual factor for significantly intense reflections	0.0929
Weighted residual factors for significantly intense reflections	0.2828
Weighted residual factors for all reflections included in the refinement	0.3159
Goodness-of-fit parameter for all reflections included in the refinement	1.166
Diffraction radiation wavelength	0.71069 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.	1504516.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504516.cif
42132	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504516 via cif-deposit CGI script.	1504516.cif