Crystallography Open Database

Information card for entry 1504285

Preview

Coordinates	1504285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H112 N6 O4 Zn
Calculated formula	C87 H112 N6 O4 Zn
Title of publication	meso,meso'-Bis(5-azaindol-2-yl)-appended meso-meso-linked Zn(II) diporphyrin: a discrete fluorescent assembly.
Authors of publication	Maeda, Chihiro; Shinokubo, Hiroshi; Osuka, Atsuhiro
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	22
Pages of publication	5322 - 5325
a	16.5956 ± 0.0013 Å
b	34.837 ± 0.003 Å
c	14.5206 ± 0.0011 Å
α	90°
β	115.729 ± 0.002°
γ	90°
Cell volume	7562.7 ± 1.1 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1271
Residual factor for significantly intense reflections	0.0937
Weighted residual factors for significantly intense reflections	0.232
Weighted residual factors for all reflections included in the refinement	0.2504
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
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.	1504285.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504285.cif
39570	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504285 via cif-deposit CGI script.	1504285.cif