Crystallography Open Database

Information card for entry 7051304

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Coordinates	7051304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H38 Fe2 N4 O8
Calculated formula	C34 H38 Fe2 N4 O8
SMILES	[cH]12[cH]3[Fe]4567891([cH]1[c]7([cH]6[cH]5[cH]41)C(=O)O)[cH]3[cH]8[c]29C(=O)[O-].C(CC1=[NH+]CCCN1)C1=[NH+]CCCN1.[cH]12[cH]3[cH]4[cH]5[c]1(C(=O)[O-])[Fe]16782345[cH]2[c]8([cH]7[cH]6[cH]12)C(=O)O
Journal of publication	New Journal of Chemistry
Year of publication	2000
Journal volume	24
Journal issue	7
Pages of publication	547 - 553
a	11.91 ± 0.01 Å
b	10.623 ± 0.005 Å
c	13.516 ± 0.009 Å
α	90°
β	107.96 ± 0.08°
γ	90°
Cell volume	1626.7 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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