Crystallography Open Database

Information card for entry 1504514

Preview

Coordinates	1504514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H164 Cl18 N14 Zn2
Calculated formula	C148 H164 Cl18 N14 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	13.959 ± 0.005 Å
b	14.301 ± 0.005 Å
c	18.276 ± 0.005 Å
α	95.686 ± 0.005°
β	99.037 ± 0.005°
γ	91.849 ± 0.005°
Cell volume	3581 ± 2 Å³
Cell temperature	90 ± 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	0.1167
Residual factor for significantly intense reflections	0.0991
Weighted residual factors for significantly intense reflections	0.2332
Weighted residual factors for all reflections included in the refinement	0.2463
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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.	1504514.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1504514.cif
42130	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 1504514 via cif-deposit CGI script.	1504514.cif