Crystallography Open Database

Information card for entry 4314965

Preview

Coordinates	4314965.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	trans-H4L
Formula	C30 H30 N4 O10
Calculated formula	C29.9977 H30 N4 O9.9995
Title of publication	Modulation of Multimetal Complexation Behavior of Tetraoxime Ligand by Covalent Transformation of Olefinic Functionalities
Authors of publication	Shigehisa Akine; Satoko Kagiyama; Tatsuya Nabeshima
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	2141 - 2152
a	8.4656 ± 0.0013 Å
b	20.596 ± 0.003 Å
c	32.583 ± 0.005 Å
α	92.955 ± 0.002°
β	90.244 ± 0.002°
γ	96.276 ± 0.002°
Cell volume	5639.3 ± 1.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.175
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1562
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
179229 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/49.	4314965.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314965.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314965.cif
8108	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314965 via cif-deposit CGI script.	4314965.cif