Crystallography Open Database

Information card for entry 7023278

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Structure parameters

Common name	[Ni4(OMe)4(L2)4(MeOH)4]
Formula	C40 H60 N4 Ni4 O16
Calculated formula	C40 H60 N4 Ni4 O16
SMILES	[OH]([Ni]123(Oc4c(OC)cccc4C=[NH]1)[O]1(C)[Ni]45([NH]=Cc6cccc(c6O4)OC)([O]4(C)[Ni]6(Oc7c(cccc7C=[NH]6)OC)([OH]C)([O]35C)[O]2(C)[Ni]214([NH]=Cc1cccc(c1O2)OC)[OH]C)[OH]C)C
Title of publication	Homo- and heterometallic planes, chains and cubanes.
Authors of publication	Meally, Seán T; Taylor, Stephanie M.; Brechin, Euan K.; Piligkos, Stergios; Jones, Leigh F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	28
Pages of publication	10315 - 10325
a	22.187 ± 0.003 Å
b	22.187 ± 0.003 Å
c	9.5524 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	4702.3 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1018
Weighted residual factors for all reflections included in the refinement	0.1184
Goodness-of-fit parameter for all reflections included in the refinement	0.811
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7023278.cif
179937	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/32.	7023278.cif
90485	2013-11-17	cif/ Adding structures of 7023277, 7023278, 7023279, 7023280, 7023281, 7023282 via cif-deposit CGI script.	7023278.cif