Crystallography Open Database

Information card for entry 4321552

Preview

Coordinates	4321552.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dipyridine-diaqua-(4,4'-biphenyldicarboxylato) Cobalt(II) dipyridine monohydrate
Formula	C34 H34 Co N4 O7
Calculated formula	C34 H34 Co N4 O7
Title of publication	Reactions and Reactivity of Co-bpdc Coordination Polymers (bpdc = 4,4'-biphenyldicarboxylate)
Authors of publication	Long Pan; Nancy Ching; Xiaoying Huang; Jing Li
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	5333 - 5340
a	13.468 ± 0.003 Å
b	16.652 ± 0.003 Å
c	14.977 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3358.9 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1409
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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
179318 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/15.	4321552.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4321552.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321552.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321552.cif
18924	2011-05-06	../uploads/cif-deposit/cod/cif Adding structures of 4321552 via cif-deposit CGI script.	4321552.cif