Crystallography Open Database

Information card for entry 7110375

Preview

Coordinates	7110375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H63 Cl9 N12 O4 Zn
Calculated formula	C70 H63 Cl9 N12 O4 Zn
Title of publication	New 1,4,7-triazacyclononane-based functional analogues of the Fe/Cu active site of cytochrome c oxidase: structure, spectroscopy and electrocatalytic reduction of oxygen
Authors of publication	Collman, James P.; Schwenninger, Reinhold; Rapta, Miroslav; Bröring, Martin; Fu, Lei
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	2
Pages of publication	137
a	13.3435 ± 0.0008 Å
b	13.5214 ± 0.0008 Å
c	20.85 ± 0.001 Å
α	103.096 ± 0.001°
β	91.287 ± 0.001°
γ	111.723 ± 0.001°
Cell volume	3380.2 ± 0.3 Å³
Cell temperature	127.15 K
Ambient diffraction temperature	127.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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