Crystallography Open Database

Information card for entry 4078606

Preview

Coordinates	4078606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41.29 H60 Co N3 Ni9 O15.3
Calculated formula	C41.282 H61 Co N3 Ni9 O15.282
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	11.997 ± 0.0011 Å
b	12.2347 ± 0.0011 Å
c	18.442 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2706.9 ± 0.4 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	0.0409
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0859
Weighted residual factors for all reflections included in the refinement	0.0917
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4078606.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078606.cif
62438	2012-07-07	cif/ Adding structures of 4078603, 4078604, 4078605, 4078606, 4078607, 4078608 via cif-deposit CGI script.	4078606.cif