Crystallography Open Database

Information card for entry 4513169

Preview

Coordinates	4513169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H21 Co2 N5 O15
Calculated formula	C15 H21 Co2 N5 O15
Title of publication	Two New Adenine-Based Co(II) Coordination Polymers: Synthesis, Crystal Structure, Coordination Modes, and Reversible Hydrochromic Behavior
Authors of publication	Burneo, Iván; Stylianou, Kyriakos C.; Rodríguez-Hermida, Sabina; Juanhuix, Jordi; Fontrodona, Xavier; Imaz, Inhar; Maspoch, Daniel
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	7
Pages of publication	3182
a	9.465 ± 0.007 Å
b	12.581 ± 0.009 Å
c	18.98 ± 0.014 Å
α	90°
β	93.548 ± 0.013°
γ	90°
Cell volume	2256 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0896
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
140075 (current)	2015-07-05	cif/ Updating files of 4513168, 4513169 Original log message: Adding full bibliography for 4513168--4513169.cif.	4513169.cif
138387	2015-06-06	cif/ Adding structures of 4513169 via cif-deposit CGI script.	4513169.cif