Crystallography Open Database

Information card for entry 2243346

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Coordinates	2243346.cif
Structure factors	2243346.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^)nickel(II)]-μ-1,3-bis(3-carboxylatopropyl)tetramethyldisiloxane-κ^2^<i>O</i>:<i>O</i>']
Formula	C22 H48 N4 Ni O5 Si2
Calculated formula	C22 H48 N4 Ni O5 Si2
Title of publication	Syntheses and crystal structures of the one-dimensional coordination polymers formed by [Ni(cyclam)]^2+^ cations and 1,3-bis(3-carboxypropyl)tetramethyldisiloxane anions in different degrees of deprotonation
Authors of publication	Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Dascalu, Mihaela; Lampeka, Yaroslaw D.
Journal of publication	Acta Crystallographica Section E
Year of publication	2020
Journal volume	76
Journal issue	3
Pages of publication	446 - 451
a	13.033 ± 0.005 Å
b	12.877 ± 0.01 Å
c	9.028 ± 0.003 Å
α	90°
β	101.31 ± 0.03°
γ	90°
Cell volume	1485.7 ± 1.4 Å³
Cell temperature	173.05 ± 0.1 K
Ambient diffraction temperature	173.05 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1114
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
250393 (current)	2020-04-06	cif/ hkl/ Adding structures of 2243346, 2243347 via cif-deposit CGI script.	2243346.cif 2243346.hkl