Crystallography Open Database

Information card for entry 7027407

Preview

Coordinates	7027407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H21 Cr O9
Calculated formula	C20 H18 Cr O9
SMILES	[Cr]123456789%10([cH]%11[cH]5[cH]4[cH]3[cH]2[cH]1%11)[cH]1[cH]%10[cH]9[cH]8[cH]7[cH]61.[C@@H]1([C@H]([C@@H]([C@@H]1C(=O)O)C(=O)[O-])C(=O)[O-])C(=O)O.O
Title of publication	Organometallic crystal engineering with multidentate building blocks and template guest size effect. Supra-anionic organic frameworks obtained from cyclobutane-1,2,3,4-tetracarboxylic and trans-acotinic acids †
Authors of publication	Braga, Dario; Benedi, Oscar; Maini, Lucia; Grepioni, Fabrizia
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	15
Pages of publication	2611
a	13.24 ± 0.01 Å
b	13.79 ± 0.02 Å
c	11.2 ± 0.01 Å
α	90°
β	112.63 ± 0.07°
γ	90°
Cell volume	1887 ± 4 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.4195
Residual factor for significantly intense reflections	0.086
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.2616
Goodness-of-fit parameter for all reflections	0.926
Goodness-of-fit parameter for all reflections included in the refinement	0.926
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179980 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/74.	7027407.cif
95350	2014-01-28	cif/ Adding structures of 7027407 via cif-deposit CGI script.	7027407.cif