Crystallography Open Database

Information card for entry 4315359

Preview

Coordinates	4315359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H50 B Cl6 Fe N6 O4
Calculated formula	C35 H61 B Cl8 Fe N6 O4
Title of publication	Oxygen Activation at Mononuclear Nonheme Iron Centers: A Superoxo Perspective
Authors of publication	Anusree Mukherjee; Matthew A. Cranswick; Mrinmoy Chakrabarti; Tapan K. Paine; Kiyoshi Fujisawa; Eckard Münck; Lawrence Que
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	3618 - 3628
a	12.549 ± 0.003 Å
b	13.537 ± 0.003 Å
c	13.733 ± 0.003 Å
α	88.421 ± 0.003°
β	89.132 ± 0.003°
γ	80.386 ± 0.003°
Cell volume	2299.1 ± 0.9 Å³
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179233 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/53.	4315359.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315359.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315359.cif
8514	2011-02-07	../uploads/cif-deposit/cod/cif Adding structures of 4315359 via cif-deposit CGI script.	4315359.cif