Crystallography Open Database

Information card for entry 4315358

Preview

Structure parameters

Formula	C75 H114 B2 Fe2 N12 O6
Calculated formula	C75 H114 B2 Fe2 N12 O6
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	11.3474 ± 0.001 Å
b	13.0436 ± 0.0011 Å
c	26.76 ± 0.002 Å
α	90°
β	97.69 ± 0.001°
γ	90°
Cell volume	3925.2 ± 0.6 Å³
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301837 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure.	4315358.cif
179233	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.	4315358.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315358.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315358.cif
8513	2011-02-07	../uploads/cif-deposit/cod/cif Adding structures of 4315358 via cif-deposit CGI script.	4315358.cif