Crystallography Open Database

Information card for entry 4300996

Preview

Coordinates	4300996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H44 Mo N16 Ni2 O6
Calculated formula	C16 H44 Mo N16 Ni2 O6
SMILES	C(#N)[Mo](C#N)(C#N)(C#[N][Ni]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)[OH2])(C#N)(C#N)(C#N)C#[N][Ni]12([NH2]CC[NH2]1)([NH2]CC[NH2]2)[OH2].O.O.O.O
Title of publication	Synthesis and Structural Characterization of Bi- and Trimetallic Octacyanometalate(IV) Complexes: [Δ,Λ-MII(en)3][cis-MII(en)2(OH2)][MIV(CN)8]·2H2O and [cis-MII(en)2(OH2)]2[(μ-NC)2MIV(CN)6]·4H2O (MII= Mn, Co, Ni; MIV= Mo, W)
Authors of publication	Withers, Jeffrey R.; Ruschmann, Chad; Bojang, Pasano; Parkin, Sean; Holmes, Stephen M.
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	2
Pages of publication	352 - 358
a	17.0725 ± 0.0004 Å
b	11.0054 ± 0.0003 Å
c	17.5905 ± 0.0005 Å
α	90°
β	108.695 ± 0.001°
γ	90°
Cell volume	3130.69 ± 0.14 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Duplicate of	4308409
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.