Crystallography Open Database

Information card for entry 1504002

Preview

Coordinates	1504002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77 H97 N5 Ni
Calculated formula	C77 H92 N5 Ni
Title of publication	Unprecedented degradation of nickel(II) 2,3,12,13-tetrabromo-5,10,15,20-tetraarylporphyrins by the anion of E-benzaldoxime: a novel approach to nickel(II) chlorophins and bacteriophins.
Authors of publication	Li, Ke-Lai; Guo, Can-Cheng; Chen, Qing-Yun
Journal of publication	Organic letters
Year of publication	2009
Journal volume	11
Journal issue	13
Pages of publication	2724 - 2727
a	27.77 ± 0.016 Å
b	35.78 ± 0.02 Å
c	8.445 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	8391 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	68
Hermann-Mauguin space group symbol	C c c a :2
Hall space group symbol	-C 2a 2ac
Residual factor for all reflections	0.1248
Residual factor for significantly intense reflections	0.0997
Weighted residual factors for significantly intense reflections	0.2582
Weighted residual factors for all reflections included in the refinement	0.2796
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	1504002.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504002.cif
39258	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504002 via cif-deposit CGI script.	1504002.cif