Crystallography Open Database

Information card for entry 4078605

Preview

Coordinates	4078605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.42 H60 Co N3 Ni9 O15.42
Calculated formula	C41.42 H60 Co N3 Ni9 O15.42
Title of publication	Bimetallic Nickel‒Cobalt Hexacarbido Carbonyl Clusters [H6‒nNi22Co6C6(CO)36]n−(n= 3‒6) Possessing Polyhydride Nature and Their Base-Induced Degradation to the Monoacetylide [Ni9CoC2(CO)16‒x]3‒(x= 0, 1)
Authors of publication	Ciabatti, Iacopo; Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Zacchini, Stefano
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	12
Pages of publication	4593
a	12.0473 ± 0.0012 Å
b	12.2173 ± 0.0012 Å
c	18.4801 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2720 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.225
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178675 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/86.	4078605.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078605.cif
62438	2012-07-07	cif/ Adding structures of 4078603, 4078604, 4078605, 4078606, 4078607, 4078608 via cif-deposit CGI script.	4078605.cif