Crystallography Open Database

Information card for entry 1504001

Preview

Coordinates	1504001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 Br N4 Ni O0.5
Calculated formula	C44 H31 Br N4 Ni O0.5
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	15.775 ± 0.0016 Å
b	12.4675 ± 0.0013 Å
c	17.5806 ± 0.0018 Å
α	90°
β	93.757 ± 0.002°
γ	90°
Cell volume	3450.2 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1244
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.2311
Weighted residual factors for all reflections included in the refinement	0.2435
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1504001.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1504001.cif
39257	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 1504001 via cif-deposit CGI script.	1504001.cif