Crystallography Open Database

Information card for entry 7252094

7252093 << 7252094 >> 7252095

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Coordinates	7252094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 N5 O4
Calculated formula	C9 H13 N5 O4
Title of publication	Continuous Control of Thermal Responses in Dynamic Crystals via Solid Solution Engineering
Authors of publication	Meng, Jiantao; Su, Yahui; Zhu, Hang; Chen, Wenrui; Chen, An; Su, Yuan; Cai, Ting
Journal of publication	CrystEngComm
Year of publication	2026
a	4.3553 ± 0.0003 Å
b	10.7903 ± 0.0007 Å
c	11.6008 ± 0.0009 Å
α	90°
β	98.684 ± 0.002°
γ	90°
Cell volume	538.93 ± 0.07 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0917
Residual factor for significantly intense reflections	0.0667
Weighted residual factors for significantly intense reflections	0.1605
Weighted residual factors for all reflections included in the refinement	0.1798
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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