Crystallography Open Database

Information card for entry 7113431

Preview

Coordinates	7113431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105.6 H106.8 B2 Cl1.6 N6 O9.8 Zn2
Calculated formula	C105.6 H101 B2 Cl1.6 N6 O9.8 Zn2
Title of publication	Synthesis and structure of [Zn(OMe)(L)]·[Zn(OH)(L)]·2(BPh4), L = cis,cis-1,3,5-tris[(E,E)-3-(2-furyl)acrylideneamino]cyclohexane: structural models of carbonic anhydrase and liver alcohol dehydrogenase
Authors of publication	Cronin, Leroy; Walton, Paul H.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	13
Pages of publication	1572 - 1573
a	18.147 ± 0.01 Å
b	29.799 ± 0.008 Å
c	18.392 ± 0.005 Å
α	90°
β	98.63 ± 0.04°
γ	90°
Cell volume	9833 ± 7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
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	0.2147
Residual factor for significantly intense reflections	0.0984
Weighted residual factors for significantly intense reflections	0.2631
Weighted residual factors for all reflections included in the refinement	0.3196
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Duplicate of	7103723
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210391 (current)	2018-09-04	cif/7/ Updating bibliography in entries 7103723, 7113431. Marking entry 7113431 as a duplicate of entry 7103723.	7113431.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7113431.cif
115056	2014-06-02	cif/ Adding structures of 7113431 via cif-deposit CGI script.	7113431.cif