Crystallography Open Database

Information card for entry 7200534

7200533 << 7200534 >> 7200535

Preview

Coordinates	7200534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 N4 Na2 O18 Zn2
Calculated formula	C40 H40 N4 Na2 O18 Zn2
SMILES	[Na]1234([OH]C)[O]5[Zn]6([n]7ccc[nH]7)(OC(=[O]6)C)OC6=[O]4[Na]478([OH]C)[O]3=C(C[O]2c2c(cc3ccccc3c2)[O]1CC5=O)O[Zn]1([n]2ccc[nH]2)([O]4C(=O)C[O]7c2cc3ccccc3cc2[O]8C6)OC(=[O]1)C
Title of publication	Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study
Authors of publication	Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	5
Pages of publication	832
a	8.6774 ± 0.0007 Å
b	11.7824 ± 0.0009 Å
c	12.3236 ± 0.0015 Å
α	108.07 ± 0.003°
β	94.205 ± 0.003°
γ	109.158 ± 0.002°
Cell volume	1109.77 ± 0.19 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1117
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
180336 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/05.	7200534.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200534.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200534.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7200534.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200534.cif