Crystallography Open Database

Information card for entry 4300512

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Coordinates	4300512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H86 Fe2 N2 O8
Calculated formula	C98 H86 Fe2 N2 O8
SMILES	c1c(ccc[n]1[Fe]1([O]=C(c2c(cccc2c2ccc(cc2)C)c2ccc(cc2)C)O[Fe]([n]2cc(ccc2)CC)([O]=C(O1)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)OC(=O)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)OC(=O)c1c(cccc1c1ccc(cc1)C)c1ccc(cc1)C)CC
Journal of publication	Inorganic Chemistry
Year of publication	2006
a	12.311 ± 0.003 Å
b	13.322 ± 0.003 Å
c	14.608 ± 0.003 Å
α	115.544 ± 0.003°
β	108.042 ± 0.004°
γ	98.087 ± 0.004°
Cell volume	1947.5 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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

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